6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride

C18H13Cl2NO3 — CID 46779420

IUPAC6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C18H13Cl2NO3/c1-23-11-4-6-17(24-2)14(8-11)16-9-13(18(20)22)12-7-10(19)3-5-15(12)21-16/h3-9H,1-2H3
InChIKeyQNDADZRTHPQVEJ-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.95
Rot. Bonds4

About 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride

6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride (PubChem CID 46779420) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
PubChem CID46779420
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C18H13Cl2NO3/c1-23-11-4-6-17(24-2)14(8-11)16-9-13(18(20)22)12-7-10(19)3-5-15(12)21-16/h3-9H,1-2H3
InChIKeyQNDADZRTHPQVEJ-UHFFFAOYSA-N
XLogP4.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
2-(4-tert-butylphenyl)-6-chloroquinoline-4-carbonyl chloride
CID 46779410
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The IUPAC name of 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride (CID 46779420) is 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride is COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
The InChIKey is QNDADZRTHPQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-23-11-4-6-17(24-2)14(8-11)16-9-13(18(20)22)12-7-10(19)3-5-15(12)21-16/h3-9H,1-2H3.
What are the key properties of 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride?
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride has a molecular weight of 362.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 46779420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).